N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide

C20H29N3O2 — CID 92577175

IUPACN-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
SMILESO=C(N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CCOC2)C1)C1CC1
InChIInChI=1S/C20H29N3O2/c24-20(16-6-7-16)22-19(18-5-1-2-9-21-18)17-4-3-10-23(13-17)12-15-8-11-25-14-15/h1-2,5,9,15-17,19H,3-4,6-8,10-14H2,(H,22,24)/t15-,17-,19-/m0/s1
InChIKeyFWPRXNBKRURVCF-IEZWGBDMSA-N
MW343.47 g/mol
LogP2.40
Rot. Bonds6

About N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide

N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide (PubChem CID 92577175) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
PubChem CID92577175
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
SMILESO=C(N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CCOC2)C1)C1CC1
InChIInChI=1S/C20H29N3O2/c24-20(16-6-7-16)22-19(18-5-1-2-9-21-18)17-4-3-10-23(13-17)12-15-8-11-25-14-15/h1-2,5,9,15-17,19H,3-4,6-8,10-14H2,(H,22,24)/t15-,17-,19-/m0/s1
InChIKeyFWPRXNBKRURVCF-IEZWGBDMSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 92577230
N-[(S)-[(3S)-1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 95795545
N-[(R)-[(3R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561790
(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97218411
N-[(S)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577274
(2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 124783014
(2S)-N-[(S)-[(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 95795561
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
(2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 124799837

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide (CID 92577175) is N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide is O=C(N[C@H](c1ccccn1)[C@H]1CCCN(C[C@@H]2CCOC2)C1)C1CC1.
What is the InChIKey of N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
The InChIKey is FWPRXNBKRURVCF-IEZWGBDMSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(16-6-7-16)22-19(18-5-1-2-9-21-18)17-4-3-10-23(13-17)12-15-8-11-25-14-15/h1-2,5,9,15-17,19H,3-4,6-8,10-14H2,(H,22,24)/t15-,17-,19-/m0/s1.
What are the key properties of N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide?
N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide is sourced from PubChem (CID 92577175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).