[2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate

C21H31N3O3 — CID 175314432

IUPAC[2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate
SMILESCC(C)(C[C@@H]1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)OC(N)=O
InChIInChI=1S/C21H31N3O3/c1-21(2,27-20(22)26)13-17-12-19(25)24(15-17)18-8-6-16(7-9-18)14-23-10-4-3-5-11-23/h6-9,17H,3-5,10-15H2,1-2H3,(H2,22,26)/t17-/m0/s1
InChIKeyMTHSADLLJQOIHD-KRWDZBQOSA-N
MW373.50 g/mol
LogP3.29
Rot. Bonds6

About [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate

[2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate (PubChem CID 175314432) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate
PubChem CID175314432
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name[2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate
SMILESCC(C)(C[C@@H]1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)OC(N)=O
InChIInChI=1S/C21H31N3O3/c1-21(2,27-20(22)26)13-17-12-19(25)24(15-17)18-8-6-16(7-9-18)14-23-10-4-3-5-11-23/h6-9,17H,3-5,10-15H2,1-2H3,(H2,22,26)/t17-/m0/s1
InChIKeyMTHSADLLJQOIHD-KRWDZBQOSA-N
XLogP3.29
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-[[5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]methyl] ethanethioate
CID 168668762
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 122445928
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712798
1-[4-(morpholin-4-ylmethyl)phenyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672092
(3S)-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94077375
[5-oxo-1-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]methanesulfonamide
CID 168683137
1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 141499109
(3S)-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 122445933
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carbaldehyde
CID 138546573
[1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674395
1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55559017

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate?
The IUPAC name of [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate (CID 175314432) is [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate is CC(C)(C[C@@H]1CC(=O)N(c2ccc(CN3CCCCC3)cc2)C1)OC(N)=O.
What is the InChIKey of [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate?
The InChIKey is MTHSADLLJQOIHD-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-21(2,27-20(22)26)13-17-12-19(25)24(15-17)18-8-6-16(7-9-18)14-23-10-4-3-5-11-23/h6-9,17H,3-5,10-15H2,1-2H3,(H2,22,26)/t17-/m0/s1.
What are the key properties of [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate?
[2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate has a molecular weight of 373.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(3R)-5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidin-3-yl]propan-2-yl] carbamate is sourced from PubChem (CID 175314432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).