(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide

C14H29N3O — CID 107163870

IUPAC(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)9-12(15)13(18)16-10-14(3)5-7-17(4)8-6-14/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeySFVQFQFWBXVVJI-LBPRGKRZSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds5

About (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide

(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide (PubChem CID 107163870) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
PubChem CID107163870
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)9-12(15)13(18)16-10-14(3)5-7-17(4)8-6-14/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKeySFVQFQFWBXVVJI-LBPRGKRZSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-[(1-methylcyclopentyl)methyl]pentanamide;hydrochloride
CID 119780580
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
4-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylbutanamide
CID 107163980
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5,5-dimethylhexanamide
CID 107163964
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956
(2S)-2-amino-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-4-methylpentanamide
CID 119868946
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide (CID 107163870) is (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide?
The InChIKey is SFVQFQFWBXVVJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)9-12(15)13(18)16-10-14(3)5-7-17(4)8-6-14/h11-12H,5-10,15H2,1-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide?
(2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 107163870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).