1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C19H27N5O2 — CID 72894166

IUPAC1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C[C@H](Nc3ncccn3)[C@@H](C3CC3)C2)CC1
InChIInChI=1S/C19H27N5O2/c1-13(25)23-9-5-15(6-10-23)18(26)24-11-16(14-3-4-14)17(12-24)22-19-20-7-2-8-21-19/h2,7-8,14-17H,3-6,9-12H2,1H3,(H,20,21,22)/t16-,17+/m1/s1
InChIKeyRGCNTBWXMIHBKA-SJORKVTESA-N
MW357.46 g/mol
LogP1.38
Rot. Bonds4

About 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 72894166) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID72894166
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C[C@H](Nc3ncccn3)[C@@H](C3CC3)C2)CC1
InChIInChI=1S/C19H27N5O2/c1-13(25)23-9-5-15(6-10-23)18(26)24-11-16(14-3-4-14)17(12-24)22-19-20-7-2-8-21-19/h2,7-8,14-17H,3-6,9-12H2,1H3,(H,20,21,22)/t16-,17+/m1/s1
InChIKeyRGCNTBWXMIHBKA-SJORKVTESA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
1-[4-[(3R,4S)-3-cyclopropyl-4-[(2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 133122660
N-[(3S,4R)-1-(cyclopentanecarbonyl)-4-cyclopropylpyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 133113583
1-[4-[(3aR,4R,6aS)-4-(pyrazin-2-ylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]piperidin-1-yl]ethanone
CID 155986841
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124760800
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
(3R,4R)-1-(1-benzoylpiperidine-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979842
1-[4-[(3S)-3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95837942
1-[4-[3-[2-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110267424

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 72894166) is 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2C[C@H](Nc3ncccn3)[C@@H](C3CC3)C2)CC1.
What is the InChIKey of 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is RGCNTBWXMIHBKA-SJORKVTESA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(25)23-9-5-15(6-10-23)18(26)24-11-16(14-3-4-14)17(12-24)22-19-20-7-2-8-21-19/h2,7-8,14-17H,3-6,9-12H2,1H3,(H,20,21,22)/t16-,17+/m1/s1.
What are the key properties of 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 357.46 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S,4R)-3-cyclopropyl-4-(pyrimidin-2-ylamino)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72894166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).