N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide

C17H30N2O3 — CID 111428691

IUPACN-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-2-15(20)19-11-7-8-14(12-19)16(21)18-13-17(22)9-5-3-4-6-10-17/h14,22H,2-13H2,1H3,(H,18,21)
InChIKeyCQDULOOSHXOOFA-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.84
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide

N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 111428691) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID111428691
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)NCC2(O)CCCCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-2-15(20)19-11-7-8-14(12-19)16(21)18-13-17(22)9-5-3-4-6-10-17/h14,22H,2-13H2,1H3,(H,18,21)
InChIKeyCQDULOOSHXOOFA-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide (CID 111428691) is N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)NCC2(O)CCCCCC2)C1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is CQDULOOSHXOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-15(20)19-11-7-8-14(12-19)16(21)18-13-17(22)9-5-3-4-6-10-17/h14,22H,2-13H2,1H3,(H,18,21).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 111428691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).