1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide

C17H23N3O2 — CID 119694800

IUPAC1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C17H23N3O2/c18-17(8-9-17)16(22)19-12-13-4-6-14(7-5-13)15(21)20-10-2-1-3-11-20/h4-7H,1-3,8-12,18H2,(H,19,22)
InChIKeyKVYXGODIGLTHEE-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.42
Rot. Bonds4

About 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 119694800) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID119694800
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1
InChIInChI=1S/C17H23N3O2/c18-17(8-9-17)16(22)19-12-13-4-6-14(7-5-13)15(21)20-10-2-1-3-11-20/h4-7H,1-3,8-12,18H2,(H,19,22)
InChIKeyKVYXGODIGLTHEE-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
(3S)-1,3-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 125167077
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
(1S)-2,2-dichloro-1-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51868895
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
N',3,3-trimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738399
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
tert-butyl N-[[4-(piperidine-1-carbonyl)phenyl]methyl]carbamate
CID 8868940
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 119694800) is 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1.
What is the InChIKey of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is KVYXGODIGLTHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-17(8-9-17)16(22)19-12-13-4-6-14(7-5-13)15(21)20-10-2-1-3-11-20/h4-7H,1-3,8-12,18H2,(H,19,22).
What are the key properties of 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119694800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).