(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide

C17H24N6O4 — CID 73356197

IUPAC(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCC(=O)N1
InChIInChI=1S/C17H24N6O4/c18-15(25)13-4-2-6-23(13)17(27)12(7-10-8-19-9-20-10)22-16(26)11-3-1-5-14(24)21-11/h8-9,11-13H,1-7H2,(H2,18,25)(H,19,20)(H,21,24)(H,22,26)/t11-,12-,13-/m0/s1
InChIKeyHZXIUHDRJSZYDO-AVGNSLFASA-N
MW376.42 g/mol
LogP-1.42
Rot. Bonds6

About (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide

(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide (PubChem CID 73356197) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
PubChem CID73356197
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCC(=O)N1
InChIInChI=1S/C17H24N6O4/c18-15(25)13-4-2-6-23(13)17(27)12(7-10-8-19-9-20-10)22-16(26)11-3-1-5-14(24)21-11/h8-9,11-13H,1-7H2,(H2,18,25)(H,19,20)(H,21,24)(H,22,26)/t11-,12-,13-/m0/s1
InChIKeyHZXIUHDRJSZYDO-AVGNSLFASA-N
XLogP-1.42
TPSA150.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide (CID 73356197) is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCC(=O)N1.
What is the InChIKey of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide?
The InChIKey is HZXIUHDRJSZYDO-AVGNSLFASA-N. The full InChI is InChI=1S/C17H24N6O4/c18-15(25)13-4-2-6-23(13)17(27)12(7-10-8-19-9-20-10)22-16(26)11-3-1-5-14(24)21-11/h8-9,11-13H,1-7H2,(H2,18,25)(H,19,20)(H,21,24)(H,22,26)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of -1.42, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 73356197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).