(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide

C25H30N4O — CID 66595400

IUPAC(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H30N4O/c30-25(10-9-20-6-5-13-26-18-20)27-14-3-4-15-29-16-11-21(12-17-29)23-19-28-24-8-2-1-7-22(23)24/h1-2,5-10,13,18-19,21,28H,3-4,11-12,14-17H2,(H,27,30)/b10-9-
InChIKeyNGBNRCCMTHHKSH-KTKRTIGZSA-N
MW402.54 g/mol
LogP4.35
Rot. Bonds8

About (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide

(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 66595400) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID66595400
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H30N4O/c30-25(10-9-20-6-5-13-26-18-20)27-14-3-4-15-29-16-11-21(12-17-29)23-19-28-24-8-2-1-7-22(23)24/h1-2,5-10,13,18-19,21,28H,3-4,11-12,14-17H2,(H,27,30)/b10-9-
InChIKeyNGBNRCCMTHHKSH-KTKRTIGZSA-N
XLogP4.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-5-phenylpenta-2,4-dienamide
CID 44533348
(E)-N-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]-3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 44533324
(E)-N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 15616538
(2E,4E)-5-(4-hydroxy-3,5-dimethoxyphenyl)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]penta-2,4-dienamide
CID 23046179
(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595349
(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 66594534
(E)-N-[5-[4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl]pentyl]-3-(4-iodophenyl)prop-2-enamide
CID 44533373
(Z)-3-pyridin-3-yl-N-[4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butyl]prop-2-enamide
CID 68504453
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
5-(3,5-dichloro-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 54305331
N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54388780
(2E,4E)-5-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]penta-2,4-dienamide
CID 10530187

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide (CID 66595400) is (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C\c1cccnc1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is NGBNRCCMTHHKSH-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H30N4O/c30-25(10-9-20-6-5-13-26-18-20)27-14-3-4-15-29-16-11-21(12-17-29)23-19-28-24-8-2-1-7-22(23)24/h1-2,5-10,13,18-19,21,28H,3-4,11-12,14-17H2,(H,27,30)/b10-9-.
What are the key properties of (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 402.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 66595400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).