(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide

C23H36N4O — CID 56859153

IUPAC(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCN1CCN(C[C@H]2C[C@@H](C(=O)NC3CC3)CN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C23H36N4O/c1-25-11-13-26(14-12-25)16-20-15-21(23(28)24-22-7-8-22)18-27(17-20)10-9-19-5-3-2-4-6-19/h2-6,20-22H,7-18H2,1H3,(H,24,28)/t20-,21-/m1/s1
InChIKeyZDGNEHUDKUQTNI-NHCUHLMSSA-N
MW384.57 g/mol
LogP1.69
Rot. Bonds7

About (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide

(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 56859153) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID56859153
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCN1CCN(C[C@H]2C[C@@H](C(=O)NC3CC3)CN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C23H36N4O/c1-25-11-13-26(14-12-25)16-20-15-21(23(28)24-22-7-8-22)18-27(17-20)10-9-19-5-3-2-4-6-19/h2-6,20-22H,7-18H2,1H3,(H,24,28)/t20-,21-/m1/s1
InChIKeyZDGNEHUDKUQTNI-NHCUHLMSSA-N
XLogP1.69
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56854204
(3R,5S)-5-[(4-methylpiperazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56860695
(3R,5S)-N-(2-morpholin-4-ylethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56856681
(3S,5R)-3-N-cyclopropyl-5-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylethyl)piperidine-3,5-dicarboxamide
CID 56858429
(3R,5S)-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56852768
(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56856852
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
(3R)-N-(4-aminocyclohexyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 98260152
(3R,5S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(morpholin-4-ylmethyl)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56858838
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3R,5S)-N-[(4-methoxyphenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56857897
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide (CID 56859153) is (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide is CN1CCN(C[C@H]2C[C@@H](C(=O)NC3CC3)CN(CCc3ccccc3)C2)CC1.
What is the InChIKey of (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is ZDGNEHUDKUQTNI-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H36N4O/c1-25-11-13-26(14-12-25)16-20-15-21(23(28)24-22-7-8-22)18-27(17-20)10-9-19-5-3-2-4-6-19/h2-6,20-22H,7-18H2,1H3,(H,24,28)/t20-,21-/m1/s1.
What are the key properties of (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide?
(3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclopropyl-5-[(4-methylpiperazin-1-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56859153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).