[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone

C19H31N5O — CID 133131207

IUPAC[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCC[C@@H]1CN(c2cncc(C(=O)N3CCCCC3)n2)C[C@H]1N(C)C
InChIInChI=1S/C19H31N5O/c1-4-8-15-13-24(14-17(15)22(2)3)18-12-20-11-16(21-18)19(25)23-9-6-5-7-10-23/h11-12,15,17H,4-10,13-14H2,1-3H3/t15-,17-/m1/s1
InChIKeyICCLISHCNKRDMK-NVXWUHKLSA-N
MW345.49 g/mol
LogP2.27
Rot. Bonds5

About [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone

[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 133131207) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID133131207
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESCCC[C@@H]1CN(c2cncc(C(=O)N3CCCCC3)n2)C[C@H]1N(C)C
InChIInChI=1S/C19H31N5O/c1-4-8-15-13-24(14-17(15)22(2)3)18-12-20-11-16(21-18)19(25)23-9-6-5-7-10-23/h11-12,15,17H,4-10,13-14H2,1-3H3/t15-,17-/m1/s1
InChIKeyICCLISHCNKRDMK-NVXWUHKLSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone 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

piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
[6-[(6S)-4-butyl-6-hydroxy-1,4-diazepan-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 99994199
[6-[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 133130425
[6-[3-(3-hydroxypropyl)-4-morpholin-4-ylpiperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 156606651
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
CID 56864446
6-[(3R,4R)-3-[[ethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 72862370
(2S,4R)-4-amino-N,N-diethyl-1-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 70755837
[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134697141
2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 135100603
[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 154816938
[6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131952098

Frequently Asked Questions

What is the IUPAC name of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 133131207) is [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is CCC[C@@H]1CN(c2cncc(C(=O)N3CCCCC3)n2)C[C@H]1N(C)C.
What is the InChIKey of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ICCLISHCNKRDMK-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H31N5O/c1-4-8-15-13-24(14-17(15)22(2)3)18-12-20-11-16(21-18)19(25)23-9-6-5-7-10-23/h11-12,15,17H,4-10,13-14H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
[6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 345.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133131207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).