(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide

C17H27N5O2 — CID 97119781

IUPAC(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N2CCN(CCn3cccc3)CC2)C1
InChIInChI=1S/C17H27N5O2/c18-17(24)22-7-3-4-15(14-22)16(23)21-12-10-20(11-13-21)9-8-19-5-1-2-6-19/h1-2,5-6,15H,3-4,7-14H2,(H2,18,24)/t15-/m0/s1
InChIKeyUEKIKSAFCBVIFH-HNNXBMFYSA-N
MW333.44 g/mol
LogP0.42
Rot. Bonds4

About (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide

(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 97119781) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID97119781
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)N2CCN(CCn3cccc3)CC2)C1
InChIInChI=1S/C17H27N5O2/c18-17(24)22-7-3-4-15(14-22)16(23)21-12-10-20(11-13-21)9-8-19-5-1-2-6-19/h1-2,5-6,15H,3-4,7-14H2,(H2,18,24)/t15-/m0/s1
InChIKeyUEKIKSAFCBVIFH-HNNXBMFYSA-N
XLogP0.42
TPSA74.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrrolidin-1-yl-[(3R)-1-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551816
(5R)-1-ethyl-5-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidin-2-one
CID 97136809
(3R)-3-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 95602082
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410
(3S)-3-[4-[(3-cyanophenyl)methyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97144260
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984373
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide (CID 97119781) is (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide is NC(=O)N1CCC[C@H](C(=O)N2CCN(CCn3cccc3)CC2)C1.
What is the InChIKey of (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is UEKIKSAFCBVIFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N5O2/c18-17(24)22-7-3-4-15(14-22)16(23)21-12-10-20(11-13-21)9-8-19-5-1-2-6-19/h1-2,5-6,15H,3-4,7-14H2,(H2,18,24)/t15-/m0/s1.
What are the key properties of (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
(3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-pyrrol-1-ylethyl)piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 97119781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).