(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide

C15H26N4O — CID 100622097

IUPAC(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)17-15(20)13(3)19-9-7-18(8-10-19)11-14-5-4-6-16-14/h4-6,12-13,16H,7-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyVHPGKHTYVQOUKW-CYBMUJFWSA-N
MW278.40 g/mol
LogP1.05
Rot. Bonds5

About (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide

(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 100622097) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID100622097
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C15H26N4O/c1-12(2)17-15(20)13(3)19-9-7-18(8-10-19)11-14-5-4-6-16-14/h4-6,12-13,16H,7-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyVHPGKHTYVQOUKW-CYBMUJFWSA-N
XLogP1.05
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 84986849
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(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605462
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605704
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
(2R)-2-[4-(2-bromoprop-2-enyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95302580
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344457
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)propanamide
CID 78787136

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide (CID 100622097) is (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide is CC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccc[nH]2)CC1.
What is the InChIKey of (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is VHPGKHTYVQOUKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)17-15(20)13(3)19-9-7-18(8-10-19)11-14-5-4-6-16-14/h4-6,12-13,16H,7-11H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide?
(2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 278.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propan-2-yl-2-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 100622097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).