4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide

C21H34N4O — CID 126426505

IUPAC4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC[C@H]2CCCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C21H34N4O/c1-2-23-13-15-25(16-14-23)21(26)22-17-20-9-6-11-24(18-20)12-10-19-7-4-3-5-8-19/h3-5,7-8,20H,2,6,9-18H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyDTMZQRBUUKCEDJ-HXUWFJFHSA-N
MW358.53 g/mol
LogP2.29
Rot. Bonds6

About 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide

4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 126426505) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
PubChem CID126426505
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC[C@H]2CCCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C21H34N4O/c1-2-23-13-15-25(16-14-23)21(26)22-17-20-9-6-11-24(18-20)12-10-19-7-4-3-5-8-19/h3-5,7-8,20H,2,6,9-18H2,1H3,(H,22,26)/t20-/m1/s1
InChIKeyDTMZQRBUUKCEDJ-HXUWFJFHSA-N
XLogP2.29
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126427116
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]propanamide
CID 45249822
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809339
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-2-phenylmethoxyacetamide
CID 94809340

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide (CID 126426505) is 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NC[C@H]2CCCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is DTMZQRBUUKCEDJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H34N4O/c1-2-23-13-15-25(16-14-23)21(26)22-17-20-9-6-11-24(18-20)12-10-19-7-4-3-5-8-19/h3-5,7-8,20H,2,6,9-18H2,1H3,(H,22,26)/t20-/m1/s1.
What are the key properties of 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide?
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 126426505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).