N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide

C19H28N4O2 — CID 120761183

IUPACN-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)C1
InChIInChI=1S/C19H28N4O2/c1-14(24)21-16-8-5-9-23(10-16)19(25)13-22-11-17(18(20)12-22)15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-13,20H2,1H3,(H,21,24)/t16?,17-,18+/m0/s1
InChIKeyJZDSTAMSOJAIAG-UQJFVLDMSA-N
MW344.46 g/mol
LogP0.54
Rot. Bonds4

About N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide

N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide (PubChem CID 120761183) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
PubChem CID120761183
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)C1
InChIInChI=1S/C19H28N4O2/c1-14(24)21-16-8-5-9-23(10-16)19(25)13-22-11-17(18(20)12-22)15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-13,20H2,1H3,(H,21,24)/t16?,17-,18+/m0/s1
InChIKeyJZDSTAMSOJAIAG-UQJFVLDMSA-N
XLogP0.54
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 120762004
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 120762054
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-cyclooctylacetamide;hydrochloride
CID 120761330
N-[(3R)-1-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 97098448
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 120761249
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120761248
1-(3-amino-4-phenylpyrrolidin-1-yl)-2-(azocan-1-yl)ethanone
CID 156604119
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]acetyl]piperidine-3-carboxamide
CID 120758703
N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
4-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 120761451
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone
CID 120759847

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide (CID 120761183) is N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CN2C[C@@H](N)[C@H](c3ccccc3)C2)C1.
What is the InChIKey of N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide?
The InChIKey is JZDSTAMSOJAIAG-UQJFVLDMSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(24)21-16-8-5-9-23(10-16)19(25)13-22-11-17(18(20)12-22)15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-13,20H2,1H3,(H,21,24)/t16?,17-,18+/m0/s1.
What are the key properties of N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide?
N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 120761183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).