(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide

C15H29N3O2 — CID 119886716

IUPAC(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C15H29N3O2/c1-2-13(16)14(19)17-12-15(6-10-20-11-7-15)18-8-4-3-5-9-18/h13H,2-12,16H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyVEHFYHZJEOPFJU-ZDUSSCGKSA-N
MW283.42 g/mol
LogP0.88
Rot. Bonds5

About (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide

(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide (PubChem CID 119886716) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
PubChem CID119886716
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C15H29N3O2/c1-2-13(16)14(19)17-12-15(6-10-20-11-7-15)18-8-4-3-5-9-18/h13H,2-12,16H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyVEHFYHZJEOPFJU-ZDUSSCGKSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide
CID 119882992
2-amino-3-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 120983514
(2S)-2-acetamido-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 95619748
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
(3R)-3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]hexanamide
CID 95621514
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
4-(aminomethyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]oxane-4-carboxamide
CID 120941156
(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide (CID 119886716) is (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide is CC[C@H](N)C(=O)NCC1(N2CCCCC2)CCOCC1.
What is the InChIKey of (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
The InChIKey is VEHFYHZJEOPFJU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-13(16)14(19)17-12-15(6-10-20-11-7-15)18-8-4-3-5-9-18/h13H,2-12,16H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide?
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide has a molecular weight of 283.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 119886716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).