(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide

C14H29N3O — CID 103928449

IUPAC(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)12(15)13(18)16-8-7-11-17-9-5-4-6-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyBDHOJNXIHVIBMN-LBPRGKRZSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds5

About (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide (PubChem CID 103928449) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
PubChem CID103928449
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,3)12(15)13(18)16-8-7-11-17-9-5-4-6-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyBDHOJNXIHVIBMN-LBPRGKRZSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(4-morpholin-4-ylbutyl)butanamide;dihydrochloride
CID 119852486
(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119852698
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide (CID 103928449) is (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide is CC(C)(C)[C@@H](N)C(=O)NCCCN1CCCCC1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide?
The InChIKey is BDHOJNXIHVIBMN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,3)12(15)13(18)16-8-7-11-17-9-5-4-6-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide is sourced from PubChem (CID 103928449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).