N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide

C15H29N5O3 — CID 138528550

IUPACN-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide
SMILESCNCCCCC(NC=O)C(=O)N1CCC(NC(=O)NC)CC1
InChIInChI=1S/C15H29N5O3/c1-16-8-4-3-5-13(18-11-21)14(22)20-9-6-12(7-10-20)19-15(23)17-2/h11-13,16H,3-10H2,1-2H3,(H,18,21)(H2,17,19,23)
InChIKeyPTPJPAJREUUSIJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP-0.59
Rot. Bonds9

About N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide

N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide (PubChem CID 138528550) has the molecular formula C15H29N5O3 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide.

Molecular Properties

Compound NameN-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide
PubChem CID138528550
Molecular FormulaC15H29N5O3
Molecular Weight327.43 g/mol
Exact Mass327.23
IUPAC NameN-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide
SMILESCNCCCCC(NC=O)C(=O)N1CCC(NC(=O)NC)CC1
InChIInChI=1S/C15H29N5O3/c1-16-8-4-3-5-13(18-11-21)14(22)20-9-6-12(7-10-20)19-15(23)17-2/h11-13,16H,3-10H2,1-2H3,(H,18,21)(H2,17,19,23)
InChIKeyPTPJPAJREUUSIJ-UHFFFAOYSA-N
XLogP-0.59
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea
CID 145414129
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370
benzyl N-[6-amino-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]carbamate
CID 175151366
N-[6-amino-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 146368271
6-(methylamino)-2-(methylcarbamoylamino)hexanoic acid
CID 20593439
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(methylcarbamoylamino)piperidine-1-carboxamide
CID 54310377
CID 89258160
CID 89258160
N-[1-(5-amino-2-methylpentanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 104684454
[(5R)-5-amino-6-[4-(cyclopropylcarbamoylamino)piperidin-1-yl]-6-oxohexyl] N-tert-butylcarbamate
CID 175162982
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679
N-cyclopropyl-2-[3-(methylcarbamoylamino)pyrrolidin-1-yl]propanamide
CID 136531999
2-[[(5R)-6-[4-(methylcarbamoylamino)piperidin-1-yl]-5-[[(2R)-4-methyl-2-[[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-6-oxohexyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 175158043

Frequently Asked Questions

What is the IUPAC name of N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide?
The IUPAC name of N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide (CID 138528550) is N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide.
What is the SMILES notation for N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide?
The canonical SMILES for N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide is CNCCCCC(NC=O)C(=O)N1CCC(NC(=O)NC)CC1.
What is the InChIKey of N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide?
The InChIKey is PTPJPAJREUUSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O3/c1-16-8-4-3-5-13(18-11-21)14(22)20-9-6-12(7-10-20)19-15(23)17-2/h11-13,16H,3-10H2,1-2H3,(H,18,21)(H2,17,19,23).
What are the key properties of N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide?
N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide has a molecular weight of 327.43 g/mol, XLogP of -0.59, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide is sourced from PubChem (CID 138528550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).