1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one

C19H29N3O2 — CID 135116973

IUPAC1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-19(23)22-10-6-17(7-11-22)21-18-14-24-13-16(18)12-15-4-8-20-9-5-15/h4-5,8-9,16-18,21H,2-3,6-7,10-14H2,1H3/t16-,18+/m1/s1
InChIKeyANAZGGHKVZMRDB-AEFFLSMTSA-N
MW331.46 g/mol
LogP2.02
Rot. Bonds6

About 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one

1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one (PubChem CID 135116973) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one
PubChem CID135116973
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-19(23)22-10-6-17(7-11-22)21-18-14-24-13-16(18)12-15-4-8-20-9-5-15/h4-5,8-9,16-18,21H,2-3,6-7,10-14H2,1H3/t16-,18+/m1/s1
InChIKeyANAZGGHKVZMRDB-AEFFLSMTSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
CID 135111812
1-(3-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
CID 135093302
1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135092036
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine
CID 135097042
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705556
1-(4-ethylphenyl)-3-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 156584114
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
2-(3-butanoylindol-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135114158
4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one (CID 135116973) is 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(N[C@H]2COC[C@H]2Cc2ccncc2)CC1.
What is the InChIKey of 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one?
The InChIKey is ANAZGGHKVZMRDB-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-3-19(23)22-10-6-17(7-11-22)21-18-14-24-13-16(18)12-15-4-8-20-9-5-15/h4-5,8-9,16-18,21H,2-3,6-7,10-14H2,1H3/t16-,18+/m1/s1.
What are the key properties of 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one?
1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one has a molecular weight of 331.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 135116973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).