N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide

C20H37N5O2 — CID 143591951

IUPACN-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide
SMILESCC(C)C(=O)N1CCC(N2CCC(N(N=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N5O2/c1-16(2)20(26)24-14-8-18(9-15-24)23-12-10-19(11-13-23)25(22-27)21-17-6-4-3-5-7-17/h16-19,21H,3-15H2,1-2H3
InChIKeyXUMIARMBNJJFLJ-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.92
Rot. Bonds6

About N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide

N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide (PubChem CID 143591951) has the molecular formula C20H37N5O2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide.

Molecular Properties

Compound NameN-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide
PubChem CID143591951
Molecular FormulaC20H37N5O2
Molecular Weight379.55 g/mol
Exact Mass379.29
IUPAC NameN-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide
SMILESCC(C)C(=O)N1CCC(N2CCC(N(N=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C20H37N5O2/c1-16(2)20(26)24-14-8-18(9-15-24)23-12-10-19(11-13-23)25(22-27)21-17-6-4-3-5-7-17/h16-19,21H,3-15H2,1-2H3
InChIKeyXUMIARMBNJJFLJ-UHFFFAOYSA-N
XLogP2.92
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide?
The IUPAC name of N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide (CID 143591951) is N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide.
What is the SMILES notation for N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide?
The canonical SMILES for N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide is CC(C)C(=O)N1CCC(N2CCC(N(N=O)NC3CCCCC3)CC2)CC1.
What is the InChIKey of N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide?
The InChIKey is XUMIARMBNJJFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2/c1-16(2)20(26)24-14-8-18(9-15-24)23-12-10-19(11-13-23)25(22-27)21-17-6-4-3-5-7-17/h16-19,21H,3-15H2,1-2H3.
What are the key properties of N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide?
N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide has a molecular weight of 379.55 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylamino)-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]piperidin-4-yl]nitrous amide is sourced from PubChem (CID 143591951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).