N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide

C19H25N3O3 — CID 52861521

IUPACN-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C19H25N3O3/c1-2-6-18(23)20-12-14-7-5-10-22(13-14)19(24)11-16-15-8-3-4-9-17(15)25-21-16/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyUUUXOPWEKUMTLW-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.53
Rot. Bonds6

About N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide

N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide (PubChem CID 52861521) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
PubChem CID52861521
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1
InChIInChI=1S/C19H25N3O3/c1-2-6-18(23)20-12-14-7-5-10-22(13-14)19(24)11-16-15-8-3-4-9-17(15)25-21-16/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyUUUXOPWEKUMTLW-AWEZNQCLSA-N
XLogP2.53
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]butanamide
CID 52851447
N-[[(3R)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 97282973
2-(1,2-benzoxazol-3-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534270
2-(1,2-benzoxazol-3-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63264257
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
2-(1,2-benzoxazol-3-yl)-1-(3-ethylsulfonylazetidin-1-yl)ethanone
CID 121164456
2-[4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 134029509
ethyl 4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carboxylate
CID 5163496
3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120580063

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide?
The IUPAC name of N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide (CID 52861521) is N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide?
The canonical SMILES for N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide is CCCC(=O)NC[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1.
What is the InChIKey of N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide?
The InChIKey is UUUXOPWEKUMTLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-6-18(23)20-12-14-7-5-10-22(13-14)19(24)11-16-15-8-3-4-9-17(15)25-21-16/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide?
N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide has a molecular weight of 343.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 52861521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).