(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide

C12H21N3O2 — CID 94916502

IUPAC(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCNC1
InChIInChI=1S/C12H21N3O2/c1-8-2-3-10(11(13)16)7-15(8)12(17)9-4-5-14-6-9/h8-10,14H,2-7H2,1H3,(H2,13,16)/t8-,9-,10+/m1/s1
InChIKeyCVZUPCPPRMDAKB-BBBLOLIVSA-N
MW239.32 g/mol
LogP-0.29
Rot. Bonds2

About (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide

(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide (PubChem CID 94916502) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide
PubChem CID94916502
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCNC1
InChIInChI=1S/C12H21N3O2/c1-8-2-3-10(11(13)16)7-15(8)12(17)9-4-5-14-6-9/h8-10,14H,2-7H2,1H3,(H2,13,16)/t8-,9-,10+/m1/s1
InChIKeyCVZUPCPPRMDAKB-BBBLOLIVSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide 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

[(2S)-2-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 59401908
N-butyl-6-methyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119744484
6-methyl-1-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 62327751
6-methyl-1-(pyrrolidin-3-ylmethyl)piperidine-3-carboxamide
CID 62370528
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
6-methyl-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxamide
CID 54944945
1-(4-ethylpiperidine-2-carbonyl)-6-methylpiperidine-3-carboxamide
CID 114428526
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135055
1-(2-amino-3-methylcyclohexanecarbonyl)-6-methylpiperidine-3-carboxamide
CID 62783233
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
1-N-cyclopropyl-6-methylpiperidine-1,3-dicarboxamide
CID 115635337

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide (CID 94916502) is (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide is C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCNC1.
What is the InChIKey of (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is CVZUPCPPRMDAKB-BBBLOLIVSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-2-3-10(11(13)16)7-15(8)12(17)9-4-5-14-6-9/h8-10,14H,2-7H2,1H3,(H2,13,16)/t8-,9-,10+/m1/s1.
What are the key properties of (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide?
(3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-methyl-1-[(3R)-pyrrolidine-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 94916502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).