N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide

C19H36N4O3 — CID 46381822

IUPACN-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide
SMILESCOCCCNC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H36N4O3/c1-26-15-5-11-20-18(24)21-12-8-16-9-13-23(14-10-16)19(25)22-17-6-3-2-4-7-17/h16-17H,2-15H2,1H3,(H,22,25)(H2,20,21,24)
InChIKeyKECJVVBQVCICSP-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.47
Rot. Bonds8

About N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 46381822) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide
PubChem CID46381822
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC NameN-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide
SMILESCOCCCNC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H36N4O3/c1-26-15-5-11-20-18(24)21-12-8-16-9-13-23(14-10-16)19(25)22-17-6-3-2-4-7-17/h16-17H,2-15H2,1H3,(H,22,25)(H2,20,21,24)
InChIKeyKECJVVBQVCICSP-UHFFFAOYSA-N
XLogP2.47
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1-(oxan-4-ylmethyl)-3-(3-piperidin-1-ylbutyl)urea
CID 75455000
N-cyclohexyl-4-methylpiperidine-1-carboxamide
CID 4207227
N-cyclohexyl-4-[2-(cyclopentylcarbamamido)ethyl]piperidine-1-carboxamide
CID 46381823
4-(2-{[(sec-butylamino)carbonyl]amino}ethyl)-N-cyclohexyltetrahydro-1(2H)-pyridinecarboxamide
CID 46381831
N-cyclohexyl-4-{2-[(3-methylbutyl)carbamamido]ethyl}piperidine-1-carboxamide
CID 46381832
N-cyclohexyl-4-[2-(cyclohexylcarbamamido)ethyl]piperidine-1-carboxamide
CID 46381833
1-acetyl-N-(3-bromophenyl)-3,3-dimethylindoline-5-sulfonamide
CID 46381837
N~1~-cyclohexyl-4-[2-(isobutyrylamino)ethyl]tetrahydro-1(2H)-pyridinecarboxamide
CID 46381862
N-Cyclohexyl-4-(2-propanamidoethyl)piperidine-1-carboxamide
CID 46381869
N~1~-Cyclohexyl-4-{2-[(3-methylbutanoyl)amino]ethyl}tetrahydro-1(2H)-pyridinecarboxamide
CID 46381879
N-Cyclohexyl-4-[2-(2-ethylbutanamido)ethyl]piperidine-1-carboxamide
CID 46381881
1-(1-Cyclohexylpiperidin-4-yl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
CID 126791704

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide (CID 46381822) is N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide is COCCCNC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is KECJVVBQVCICSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-26-15-5-11-20-18(24)21-12-8-16-9-13-23(14-10-16)19(25)22-17-6-3-2-4-7-17/h16-17H,2-15H2,1H3,(H,22,25)(H2,20,21,24).
What are the key properties of N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(3-methoxypropylcarbamoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).