N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide

C16H24N4O — CID 115706396

IUPACN-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCN(c2ccccn2)CC1)C1CC1
InChIInChI=1S/C16H24N4O/c21-16(13-4-5-13)19-10-9-17-14-6-11-20(12-7-14)15-3-1-2-8-18-15/h1-3,8,13-14,17H,4-7,9-12H2,(H,19,21)
InChIKeySABNNRLLKLCTGJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.17
Rot. Bonds6

About N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115706396) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115706396
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNC1CCN(c2ccccn2)CC1)C1CC1
InChIInChI=1S/C16H24N4O/c21-16(13-4-5-13)19-10-9-17-14-6-11-20(12-7-14)15-3-1-2-8-18-15/h1-3,8,13-14,17H,4-7,9-12H2,(H,19,21)
InChIKeySABNNRLLKLCTGJ-UHFFFAOYSA-N
XLogP1.17
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N-[2-[(1-phenylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103775963
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N',N'-diethyl-N-(1-pyridin-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 43761755
N-(2-methylsulfanylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 63983974
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
N-(3-methylsulfanylpropyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675357
N-(5-methylhexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 81338605
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 115706396) is N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide is O=C(NCCNC1CCN(c2ccccn2)CC1)C1CC1.
What is the InChIKey of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is SABNNRLLKLCTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(13-4-5-13)19-10-9-17-14-6-11-20(12-7-14)15-3-1-2-8-18-15/h1-3,8,13-14,17H,4-7,9-12H2,(H,19,21).
What are the key properties of N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115706396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).