(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide

C13H17N3O — CID 170876950

IUPAC(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C13H17N3O/c14-12(17)6-4-11-5-7-13(15-10-11)16-8-2-1-3-9-16/h4-7,10H,1-3,8-9H2,(H2,14,17)/b6-4-
InChIKeyMIKSCCVSLXAMGY-XQRVVYSFSA-N
MW231.30 g/mol
LogP1.57
Rot. Bonds3

About (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide

(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide (PubChem CID 170876950) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide
PubChem CID170876950
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C\c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C13H17N3O/c14-12(17)6-4-11-5-7-13(15-10-11)16-8-2-1-3-9-16/h4-7,10H,1-3,8-9H2,(H2,14,17)/b6-4-
InChIKeyMIKSCCVSLXAMGY-XQRVVYSFSA-N
XLogP1.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid
CID 69116911
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
3-[5-(6-piperidin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 123739902
(Z)-3-(3-chloro-4-piperidin-1-ylphenyl)prop-2-enamide
CID 170877762
(E)-3-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80632941
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
(E)-3-[6-(4-tert-butylpiperidin-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80637473
3-[4-(3-amino-3-oxoprop-1-enyl)phenyl]prop-2-enamide
CID 2749161
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
(E)-3-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]prop-2-enoic acid
CID 80632883
3-(6-cyano-3-pyridinyl)prop-2-enamide
CID 169481486

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide?
The IUPAC name of (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide (CID 170876950) is (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide is NC(=O)/C=C\c1ccc(N2CCCCC2)nc1.
What is the InChIKey of (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide?
The InChIKey is MIKSCCVSLXAMGY-XQRVVYSFSA-N. The full InChI is InChI=1S/C13H17N3O/c14-12(17)6-4-11-5-7-13(15-10-11)16-8-2-1-3-9-16/h4-7,10H,1-3,8-9H2,(H2,14,17)/b6-4-.
What are the key properties of (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide?
(Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide has a molecular weight of 231.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 170876950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).