(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide

C9H19N3O — CID 134267302

IUPAC(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CC[C@@H](N)[C@H](C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-6(2)12-4-3-8(10)7(5-12)9(11)13/h6-8H,3-5,10H2,1-2H3,(H2,11,13)/t7-,8-/m1/s1
InChIKeyRLOUUJSOFRPEDY-HTQZYQBOSA-N
MW185.27 g/mol
LogP-0.47
Rot. Bonds2

About (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide

(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 134267302) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID134267302
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CC[C@@H](N)[C@H](C(N)=O)C1
InChIInChI=1S/C9H19N3O/c1-6(2)12-4-3-8(10)7(5-12)9(11)13/h6-8H,3-5,10H2,1-2H3,(H2,11,13)/t7-,8-/m1/s1
InChIKeyRLOUUJSOFRPEDY-HTQZYQBOSA-N
XLogP-0.47
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
(3R,4R)-4-amino-1-butan-2-yl-N-methylpiperidine-3-carboxamide
CID 134267241
(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
CID 134168187
tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
CID 134435069
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile
CID 153295477
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
2-amino-5-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 65456243
methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate
CID 112710580
2-[(3R)-4-amino-1-propan-2-ylpiperidin-3-yl]oxyethanol
CID 134177883

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide (CID 134267302) is (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CC[C@@H](N)[C@H](C(N)=O)C1.
What is the InChIKey of (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is RLOUUJSOFRPEDY-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)12-4-3-8(10)7(5-12)9(11)13/h6-8H,3-5,10H2,1-2H3,(H2,11,13)/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide?
(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134267302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).