(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide

C18H26N4O3 — CID 91780032

IUPAC(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide
SMILESCC(=O)N[C@@H](CCC(N)=O)C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-13(23)20-16(7-8-17(19)24)18(25)21-14-9-11-22(12-10-14)15-5-3-2-4-6-15/h2-6,14,16H,7-12H2,1H3,(H2,19,24)(H,20,23)(H,21,25)/t16-/m0/s1
InChIKeyCFCCMDUCTQZIIC-INIZCTEOSA-N
MW346.43 g/mol
LogP0.54
Rot. Bonds7

About (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide

(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide (PubChem CID 91780032) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide
PubChem CID91780032
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide
SMILESCC(=O)N[C@@H](CCC(N)=O)C(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-13(23)20-16(7-8-17(19)24)18(25)21-14-9-11-22(12-10-14)15-5-3-2-4-6-15/h2-6,14,16H,7-12H2,1H3,(H2,19,24)(H,20,23)(H,21,25)/t16-/m0/s1
InChIKeyCFCCMDUCTQZIIC-INIZCTEOSA-N
XLogP0.54
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
(2R)-2-acetamido-N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]pentanediamide
CID 95156854
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685
2-amino-2-(4-methylphenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120669904
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 120798994
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3232501
(2S)-2-acetamido-5-amino-5-oxopentanoic acid;(1S)-2,3-dihydro-1H-inden-1-amine
CID 122423664
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
2-(carbamoylamino)-N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-3-phenylpropanamide
CID 136520779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide?
The IUPAC name of (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide (CID 91780032) is (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide.
What is the SMILES notation for (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide?
The canonical SMILES for (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide is CC(=O)N[C@@H](CCC(N)=O)C(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide?
The InChIKey is CFCCMDUCTQZIIC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(23)20-16(7-8-17(19)24)18(25)21-14-9-11-22(12-10-14)15-5-3-2-4-6-15/h2-6,14,16H,7-12H2,1H3,(H2,19,24)(H,20,23)(H,21,25)/t16-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide?
(2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide has a molecular weight of 346.43 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(1-phenylpiperidin-4-yl)pentanediamide is sourced from PubChem (CID 91780032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).