(E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide

C27H37N5O2 — CID 42850313

IUPAC(E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
SMILESCC1CCN(CC(O)CN2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cn3)CC2)CC1
InChIInChI=1S/C27H37N5O2/c1-22-11-13-30(14-12-22)20-25(33)21-31-15-17-32(18-16-31)26-9-8-24(19-28-26)29-27(34)10-7-23-5-3-2-4-6-23/h2-10,19,22,25,33H,11-18,20-21H2,1H3,(H,29,34)/b10-7+
InChIKeyOVXWIXFGHVONQY-JXMROGBWSA-N
MW463.63 g/mol
LogP2.95
Rot. Bonds8

About (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide

(E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide (PubChem CID 42850313) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
PubChem CID42850313
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name(E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
SMILESCC1CCN(CC(O)CN2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cn3)CC2)CC1
InChIInChI=1S/C27H37N5O2/c1-22-11-13-30(14-12-22)20-25(33)21-31-15-17-32(18-16-31)26-9-8-24(19-28-26)29-27(34)10-7-23-5-3-2-4-6-23/h2-10,19,22,25,33H,11-18,20-21H2,1H3,(H,29,34)/b10-7+
InChIKeyOVXWIXFGHVONQY-JXMROGBWSA-N
XLogP2.95
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[6-[4-(2-hydroxypropyl)piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
CID 42850310
N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
CID 42850252
(E)-3-phenyl-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 42857400
(E)-N-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55585362
(E)-3-phenyl-N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 46042022
N-[6-[4-(2-hydroxybutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 42857905
(E)-N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide
CID 46053202
N-methyl-4-[(E)-3-oxo-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]prop-1-enyl]benzamide
CID 46450744
3-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]propanamide
CID 39181563
(E)-3-(3-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 28923789
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
(E)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 17415370

Frequently Asked Questions

What is the IUPAC name of (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide (CID 42850313) is (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide is CC1CCN(CC(O)CN2CCN(c3ccc(NC(=O)/C=C/c4ccccc4)cn3)CC2)CC1.
What is the InChIKey of (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
The InChIKey is OVXWIXFGHVONQY-JXMROGBWSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-22-11-13-30(14-12-22)20-25(33)21-31-15-17-32(18-16-31)26-9-8-24(19-28-26)29-27(34)10-7-23-5-3-2-4-6-23/h2-10,19,22,25,33H,11-18,20-21H2,1H3,(H,29,34)/b10-7+.
What are the key properties of (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide?
(E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide has a molecular weight of 463.63 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42850313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).