1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

C18H26N4O3 — CID 97279537

IUPAC1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C18H26N4O3/c1-2-16(23)22-8-4-5-14(13-22)17(24)20-9-11-21(12-10-20)18(25)15-6-3-7-19-15/h3,6-7,14,19H,2,4-5,8-13H2,1H3/t14-/m1/s1
InChIKeyABZXIYBKTPBJMK-CQSZACIVSA-N
MW346.43 g/mol
LogP0.95
Rot. Bonds3

About 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 97279537) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID97279537
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C18H26N4O3/c1-2-16(23)22-8-4-5-14(13-22)17(24)20-9-11-21(12-10-20)18(25)15-6-3-7-19-15/h3,6-7,14,19H,2,4-5,8-13H2,1H3/t14-/m1/s1
InChIKeyABZXIYBKTPBJMK-CQSZACIVSA-N
XLogP0.95
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 95906377
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
1-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 46546638
1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97095137
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95297085
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 97279537) is 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc[nH]3)CC2)C1.
What is the InChIKey of 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is ABZXIYBKTPBJMK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-16(23)22-8-4-5-14(13-22)17(24)20-9-11-21(12-10-20)18(25)15-6-3-7-19-15/h3,6-7,14,19H,2,4-5,8-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 346.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97279537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).