(3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C18H23N7O3 — CID 72851370

IUPAC(3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H23N7O3/c26-17(12-8-13(10-19-9-12)18(27)25-6-1-2-7-25)22-11-14-23-16(24-28-14)15-20-4-3-5-21-15/h3-5,12-13,19H,1-2,6-11H2,(H,22,26)/t12-,13+/m1/s1
InChIKeyNQPVFYQVHOQFGW-OLZOCXBDSA-N
MW385.43 g/mol
LogP-0.01
Rot. Bonds5

About (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

(3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 72851370) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID72851370
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name(3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ncccn2)no1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C18H23N7O3/c26-17(12-8-13(10-19-9-12)18(27)25-6-1-2-7-25)22-11-14-23-16(24-28-14)15-20-4-3-5-21-15/h3-5,12-13,19H,1-2,6-11H2,(H,22,26)/t12-,13+/m1/s1
InChIKeyNQPVFYQVHOQFGW-OLZOCXBDSA-N
XLogP-0.01
TPSA126.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53509596
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53513005
1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818824
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818845
5-Ethyl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122435
5-Propan-2-yl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122439
N-{[3-(2-pyrimidinyl)-1,2,4-oxadiazol-5-yl]methyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56887749
(3S)-1-cyclopentyl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97200426
1-[(4S)-4-fluoro-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazole-3-carbonyl]pyrrolidin-1-yl]-2-[(4-methyl-1-pyrimidin-2-ylpiperidin-4-yl)amino]ethanone
CID 69815092
N-(2-amino-2-oxoethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223373
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 56724502
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-3-carboxamide
CID 72719831

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 72851370) is (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CNC[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is NQPVFYQVHOQFGW-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H23N7O3/c26-17(12-8-13(10-19-9-12)18(27)25-6-1-2-7-25)22-11-14-23-16(24-28-14)15-20-4-3-5-21-15/h3-5,12-13,19H,1-2,6-11H2,(H,22,26)/t12-,13+/m1/s1.
What are the key properties of (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
(3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 385.43 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 72851370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).