N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide

C27H49N5O2 — CID 53005033

IUPACN-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H49N5O2/c33-26(22-23-10-20-32(21-11-23)27(34)29-24-8-3-1-4-9-24)28-14-7-15-30-18-12-25(13-19-30)31-16-5-2-6-17-31/h23-25H,1-22H2,(H,28,33)(H,29,34)
InChIKeyCASBZFYZBHXQAN-UHFFFAOYSA-N
MW475.72 g/mol
LogP3.59
Rot. Bonds8

About N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide (PubChem CID 53005033) has the molecular formula C27H49N5O2 and a molecular weight of 475.72 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide
PubChem CID53005033
Molecular FormulaC27H49N5O2
Molecular Weight475.72 g/mol
Exact Mass475.39
IUPAC NameN-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C27H49N5O2/c33-26(22-23-10-20-32(21-11-23)27(34)29-24-8-3-1-4-9-24)28-14-7-15-30-18-12-25(13-19-30)31-16-5-2-6-17-31/h23-25H,1-22H2,(H,28,33)(H,29,34)
InChIKeyCASBZFYZBHXQAN-UHFFFAOYSA-N
XLogP3.59
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide (CID 53005033) is N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide is O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is CASBZFYZBHXQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N5O2/c33-26(22-23-10-20-32(21-11-23)27(34)29-24-8-3-1-4-9-24)28-14-7-15-30-18-12-25(13-19-30)31-16-5-2-6-17-31/h23-25H,1-22H2,(H,28,33)(H,29,34).
What are the key properties of N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 475.72 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-oxo-2-[3-(4-piperidin-1-ylpiperidin-1-yl)propylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 53005033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).