piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate

C18H25N3O3 — CID 57092113

IUPACpiperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
SMILESNC(=O)N1CCC(C(=O)ON2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c19-17(23)20-13-9-18(10-14-20,15-7-3-1-4-8-15)16(22)24-21-11-5-2-6-12-21/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23)
InChIKeyCYPHAHVJRYOYQD-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.04
Rot. Bonds3

About piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate

piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate (PubChem CID 57092113) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepiperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
PubChem CID57092113
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Namepiperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
SMILESNC(=O)N1CCC(C(=O)ON2CCCCC2)(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c19-17(23)20-13-9-18(10-14-20,15-7-3-1-4-8-15)16(22)24-21-11-5-2-6-12-21/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23)
InChIKeyCYPHAHVJRYOYQD-UHFFFAOYSA-N
XLogP2.04
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526973
[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42976592
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
4-phenyl-1-prop-2-ynoylpiperidine-4-carboxylic acid
CID 54982791
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
CID 69359350
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97123681

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate (CID 57092113) is piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate is NC(=O)N1CCC(C(=O)ON2CCCCC2)(c2ccccc2)CC1.
What is the InChIKey of piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is CYPHAHVJRYOYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-17(23)20-13-9-18(10-14-20,15-7-3-1-4-8-15)16(22)24-21-11-5-2-6-12-21/h1,3-4,7-8H,2,5-6,9-14H2,(H2,19,23).
What are the key properties of piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate?
piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl 1-carbamoyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 57092113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).