(Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide

C30H30N4O4 — CID 171698797

IUPAC(Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
SMILESCOc1ccnc(C(=O)N2CCC(c3ccc(NC(=O)/C=C\c4c[nH]c5ccccc45)cc3)CC2)c1OC
InChIInChI=1S/C30H30N4O4/c1-37-26-13-16-31-28(29(26)38-2)30(36)34-17-14-21(15-18-34)20-7-10-23(11-8-20)33-27(35)12-9-22-19-32-25-6-4-3-5-24(22)25/h3-13,16,19,21,32H,14-15,17-18H2,1-2H3,(H,33,35)/b12-9-
InChIKeyFTJZGCWDQUIFKD-XFXZXTDPSA-N
MW510.59 g/mol
LogP5.25
Rot. Bonds7

About (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide

(Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide (PubChem CID 171698797) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
PubChem CID171698797
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name(Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
SMILESCOc1ccnc(C(=O)N2CCC(c3ccc(NC(=O)/C=C\c4c[nH]c5ccccc45)cc3)CC2)c1OC
InChIInChI=1S/C30H30N4O4/c1-37-26-13-16-31-28(29(26)38-2)30(36)34-17-14-21(15-18-34)20-7-10-23(11-8-20)33-27(35)12-9-22-19-32-25-6-4-3-5-24(22)25/h3-13,16,19,21,32H,14-15,17-18H2,1-2H3,(H,33,35)/b12-9-
InChIKeyFTJZGCWDQUIFKD-XFXZXTDPSA-N
XLogP5.25
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]cyclopropane-1-carboxamide
CID 171681849
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
2-methyl-N-[4-[1-[(E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]phenyl]cyclopentane-1-carboxamide
CID 171682929
(E)-N-(3-bromophenyl)-3-(1H-indol-3-yl)prop-2-enamide
CID 16878167
(3,4-dimethoxy-2-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166391089
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533
1H-indol-3-yl-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
CID 53185539
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethenyl]prop-2-enamide
CID 54348960
(E)-3-[4-(imidazol-1-ylmethyl)phenyl]-N-[4-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]prop-2-enamide
CID 171685144
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide (CID 171698797) is (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide is COc1ccnc(C(=O)N2CCC(c3ccc(NC(=O)/C=C\c4c[nH]c5ccccc45)cc3)CC2)c1OC.
What is the InChIKey of (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide?
The InChIKey is FTJZGCWDQUIFKD-XFXZXTDPSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-37-26-13-16-31-28(29(26)38-2)30(36)34-17-14-21(15-18-34)20-7-10-23(11-8-20)33-27(35)12-9-22-19-32-25-6-4-3-5-24(22)25/h3-13,16,19,21,32H,14-15,17-18H2,1-2H3,(H,33,35)/b12-9-.
What are the key properties of (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide?
(Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide has a molecular weight of 510.59 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[1-(3,4-dimethoxypyridine-2-carbonyl)piperidin-4-yl]phenyl]-3-(1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 171698797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).