(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide

C15H25N5O — CID 61172472

IUPAC(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N5O/c1-3-11(2)13(16)14(21)19-12-5-9-20(10-6-12)15-17-7-4-8-18-15/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyWMTCELVQTLQEIH-YUZLPWPTSA-N
MW291.40 g/mol
LogP0.94
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide

(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide (PubChem CID 61172472) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
PubChem CID61172472
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H25N5O/c1-3-11(2)13(16)14(21)19-12-5-9-20(10-6-12)15-17-7-4-8-18-15/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyWMTCELVQTLQEIH-YUZLPWPTSA-N
XLogP0.94
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide (CID 61172472) is (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide is CCC(C)[C@H](N)C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide?
The InChIKey is WMTCELVQTLQEIH-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-11(2)13(16)14(21)19-12-5-9-20(10-6-12)15-17-7-4-8-18-15/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3,(H,19,21)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide?
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide has a molecular weight of 291.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 61172472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).