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

C19H31N5O — CID 72840537

IUPAC[6-[(3R,4S)-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-/m0/s1
InChIKeyICCLISHCNKRDMK-RDJZCZTQSA-N
MW345.49 g/mol
LogP2.27
Rot. Bonds5

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

[6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 72840537) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID72840537
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[6-[(3R,4S)-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-/m0/s1
InChIKeyICCLISHCNKRDMK-RDJZCZTQSA-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

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Frequently Asked Questions

What is the IUPAC name of [6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 72840537) is [6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(3R,4S)-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-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is ICCLISHCNKRDMK-RDJZCZTQSA-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-/m0/s1.
What are the key properties of [6-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone?
[6-[(3R,4S)-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-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 72840537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).