N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide

C22H30N4O3 — CID 45179797

IUPACN-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2CC(=O)N(Cc3ccccn3)C2)CC1)NC1CC1
InChIInChI=1S/C22H30N4O3/c27-20(24-18-5-6-18)7-4-16-8-11-25(12-9-16)22(29)17-13-21(28)26(14-17)15-19-3-1-2-10-23-19/h1-3,10,16-18H,4-9,11-15H2,(H,24,27)
InChIKeyZFYKJGVJAZYRIK-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.73
Rot. Bonds7

About N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide (PubChem CID 45179797) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
PubChem CID45179797
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)C2CC(=O)N(Cc3ccccn3)C2)CC1)NC1CC1
InChIInChI=1S/C22H30N4O3/c27-20(24-18-5-6-18)7-4-16-8-11-25(12-9-16)22(29)17-13-21(28)26(14-17)15-19-3-1-2-10-23-19/h1-3,10,16-18H,4-9,11-15H2,(H,24,27)
InChIKeyZFYKJGVJAZYRIK-UHFFFAOYSA-N
XLogP1.73
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide
CID 42287246
5-oxo-N-[4-(piperidine-1-carbonyl)cyclohexyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 169418251
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
(4R)-1-(pyridin-2-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 96783398
(4S)-4-(4-methylsulfonylpiperazine-1-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 94149560
(5R)-5-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)piperidin-2-one
CID 25275352
(4S)-4-[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 95532445
3-[1-[(3R)-1-tert-butyl-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-N-cyclopropylpropanamide
CID 42508719
4-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 131952282
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
(4S)-4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97275458

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide (CID 45179797) is N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)C2CC(=O)N(Cc3ccccn3)C2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
The InChIKey is ZFYKJGVJAZYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-20(24-18-5-6-18)7-4-16-8-11-25(12-9-16)22(29)17-13-21(28)26(14-17)15-19-3-1-2-10-23-19/h1-3,10,16-18H,4-9,11-15H2,(H,24,27).
What are the key properties of N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45179797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).