4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide

C18H26N2O2 — CID 111438789

IUPAC4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-13(21)14-7-9-20(10-8-14)18(22)19-12-16-11-17(16)15-5-3-2-4-6-15/h2-6,13-14,16-17,21H,7-12H2,1H3,(H,19,22)
InChIKeySDRCMCNSSLWSGO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.59
Rot. Bonds4

About 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide

4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide (PubChem CID 111438789) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
PubChem CID111438789
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-13(21)14-7-9-20(10-8-14)18(22)19-12-16-11-17(16)15-5-3-2-4-6-15/h2-6,13-14,16-17,21H,7-12H2,1H3,(H,19,22)
InChIKeySDRCMCNSSLWSGO-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
CID 138011509
4-(1-hydroxyethyl)-N-(2-methyl-2-phenylpropyl)piperidine-1-carboxamide
CID 111438231
4-(1-hydroxyethyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438064
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide
CID 164626725
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880708
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265
1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide (CID 111438789) is 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NCC2CC2c2ccccc2)CC1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide?
The InChIKey is SDRCMCNSSLWSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(21)14-7-9-20(10-8-14)18(22)19-12-16-11-17(16)15-5-3-2-4-6-15/h2-6,13-14,16-17,21H,7-12H2,1H3,(H,19,22).
What are the key properties of 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide?
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 111438789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).