4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide

C19H29N3O3 — CID 95588981

IUPAC4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)N2CCC(CC(N)=O)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(3-4-15-5-7-17(25-2)8-6-15)21-19(24)22-11-9-16(10-12-22)13-18(20)23/h5-8,14,16H,3-4,9-13H2,1-2H3,(H2,20,23)(H,21,24)/t14-/m1/s1
InChIKeyFWYGJJYFCHTLJO-CQSZACIVSA-N
MW347.46 g/mol
LogP2.31
Rot. Bonds7

About 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide (PubChem CID 95588981) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
PubChem CID95588981
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)N2CCC(CC(N)=O)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-14(3-4-15-5-7-17(25-2)8-6-15)21-19(24)22-11-9-16(10-12-22)13-18(20)23/h5-8,14,16H,3-4,9-13H2,1-2H3,(H2,20,23)(H,21,24)/t14-/m1/s1
InChIKeyFWYGJJYFCHTLJO-CQSZACIVSA-N
XLogP2.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]thiomorpholine-4-carboxamide
CID 95155246
1-N-[4-(4-methoxyphenyl)butan-2-yl]-4-N,4-N-dimethylpiperazine-1,4-dicarboxamide
CID 86855169
4-(hydroxymethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 110901487
(2R,6R)-4-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-6-methylmorpholine-2,4-dicarboxamide
CID 125131288
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55589558
1-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]pyrrolidine-1,3-dicarboxamide
CID 56797928
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 94820613
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
(3R)-1-(2,2-dimethylpropanoyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-3-carboxamide
CID 52508214
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide (CID 95588981) is 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide is COc1ccc(CC[C@@H](C)NC(=O)N2CCC(CC(N)=O)CC2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is FWYGJJYFCHTLJO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(3-4-15-5-7-17(25-2)8-6-15)21-19(24)22-11-9-16(10-12-22)13-18(20)23/h5-8,14,16H,3-4,9-13H2,1-2H3,(H2,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95588981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).