1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide

C17H25N3O — CID 119879171

IUPAC1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)C2(N)CC2)CC1
InChIInChI=1S/C17H25N3O/c1-13(14-5-3-2-4-6-14)20-11-7-15(8-12-20)19-16(21)17(18)9-10-17/h2-6,13,15H,7-12,18H2,1H3,(H,19,21)
InChIKeyOXDBPNQCSBMFBS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.82
Rot. Bonds4

About 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide

1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 119879171) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID119879171
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)C2(N)CC2)CC1
InChIInChI=1S/C17H25N3O/c1-13(14-5-3-2-4-6-14)20-11-7-15(8-12-20)19-16(21)17(18)9-10-17/h2-6,13,15H,7-12,18H2,1H3,(H,19,21)
InChIKeyOXDBPNQCSBMFBS-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[1-(1-phenylethyl)piperidin-4-yl]butanamide
CID 120503779
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
methyl (2S)-2-[[1-[(1S)-1-phenylethyl]piperidin-4-yl]amino]butanoate
CID 124625205
1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 111422903
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
1-[(1R,2S)-2-methyl-2-propan-2-yloxycyclopropyl]-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 136584213
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
3-amino-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 107321179
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
1-(1-phenylethyl)piperidin-4-amine
CID 12641844

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide (CID 119879171) is 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide is CC(c1ccccc1)N1CCC(NC(=O)C2(N)CC2)CC1.
What is the InChIKey of 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is OXDBPNQCSBMFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(14-5-3-2-4-6-14)20-11-7-15(8-12-20)19-16(21)17(18)9-10-17/h2-6,13,15H,7-12,18H2,1H3,(H,19,21).
What are the key properties of 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119879171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).