N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen

C31H55N5O4 — CID 143500022

IUPACN-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen
SMILESCC(C)CC(NC(=O)[C@@H]1CNCC(C)C1)C(=O)N(C)C.COCCCn1cc(CN(O)C2CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C16H22N2O2.C15H29N3O2.2H2/c1-20-10-4-9-17-11-13(12-18(19)14-7-8-14)15-5-2-3-6-16(15)17;1-10(2)6-13(15(20)18(4)5)17-14(19)12-7-11(3)8-16-9-12;;/h2-3,5-6,11,14,19H,4,7-10,12H2,1H3;10-13,16H,6-9H2,1-5H3,(H,17,19);2*1H/t;11?,12-,13?;;/m.0../s1
InChIKeyHZQFPAKDGZCUFO-FVDJUORZSA-N
MW561.81 g/mol
LogP4.37
Rot. Bonds12

About N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen

N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen (PubChem CID 143500022) has the molecular formula C31H55N5O4 and a molecular weight of 561.81 g/mol. Its IUPAC name is N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen
PubChem CID143500022
Molecular FormulaC31H55N5O4
Molecular Weight561.81 g/mol
Exact Mass561.43
IUPAC NameN-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen
SMILESCC(C)CC(NC(=O)[C@@H]1CNCC(C)C1)C(=O)N(C)C.COCCCn1cc(CN(O)C2CC2)c2ccccc21.[H][H].[H][H]
InChIInChI=1S/C16H22N2O2.C15H29N3O2.2H2/c1-20-10-4-9-17-11-13(12-18(19)14-7-8-14)15-5-2-3-6-16(15)17;1-10(2)6-13(15(20)18(4)5)17-14(19)12-7-11(3)8-16-9-12;;/h2-3,5-6,11,14,19H,4,7-10,12H2,1H3;10-13,16H,6-9H2,1-5H3,(H,17,19);2*1H/t;11?,12-,13?;;/m.0../s1
InChIKeyHZQFPAKDGZCUFO-FVDJUORZSA-N
XLogP4.37
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.81
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen?
The IUPAC name of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen (CID 143500022) is N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen is CC(C)CC(NC(=O)[C@@H]1CNCC(C)C1)C(=O)N(C)C.COCCCn1cc(CN(O)C2CC2)c2ccccc21.[H][H].[H][H].
What is the InChIKey of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen?
The InChIKey is HZQFPAKDGZCUFO-FVDJUORZSA-N. The full InChI is InChI=1S/C16H22N2O2.C15H29N3O2.2H2/c1-20-10-4-9-17-11-13(12-18(19)14-7-8-14)15-5-2-3-6-16(15)17;1-10(2)6-13(15(20)18(4)5)17-14(19)12-7-11(3)8-16-9-12;;/h2-3,5-6,11,14,19H,4,7-10,12H2,1H3;10-13,16H,6-9H2,1-5H3,(H,17,19);2*1H/t;11?,12-,13?;;/m.0../s1.
What are the key properties of N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen?
N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen has a molecular weight of 561.81 g/mol, XLogP of 4.37, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]hydroxylamine;(3S)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-5-methylpiperidine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 143500022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).