(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide

C15H25N5O — CID 103831283

IUPAC(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-3-5-13(16)14(21)19-12-6-10-20(11-7-12)15-17-8-4-9-18-15/h4,8-9,12-13H,2-3,5-7,10-11,16H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyBKDUETSYTUBDKH-ZDUSSCGKSA-N
MW291.40 g/mol
LogP1.08
Rot. Bonds6

About (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide

(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide (PubChem CID 103831283) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
PubChem CID103831283
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N5O/c1-2-3-5-13(16)14(21)19-12-6-10-20(11-7-12)15-17-8-4-9-18-15/h4,8-9,12-13H,2-3,5-7,10-11,16H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyBKDUETSYTUBDKH-ZDUSSCGKSA-N
XLogP1.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
CID 60846790
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
2-[[(2-ethylhexylamino)-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039121
2-(ethylamino)-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62832512
2-amino-N-(2,3-dihydro-1H-inden-2-yl)hexanamide
CID 107842684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide (CID 103831283) is (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide is CCCC[C@H](N)C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide?
The InChIKey is BKDUETSYTUBDKH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O/c1-2-3-5-13(16)14(21)19-12-6-10-20(11-7-12)15-17-8-4-9-18-15/h4,8-9,12-13H,2-3,5-7,10-11,16H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide?
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide has a molecular weight of 291.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide is sourced from PubChem (CID 103831283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).