(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C14H23N3O2 — CID 81096346

IUPAC(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCCn1cc(N)cc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H23N3O2/c1-3-6-17-10-11(15)9-12(17)13(18)16-7-4-14(2,19)5-8-16/h9-10,19H,3-8,15H2,1-2H3
InChIKeyGRKCYTGTLKLNQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds3

About (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81096346) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81096346
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCCCn1cc(N)cc1C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C14H23N3O2/c1-3-6-17-10-11(15)9-12(17)13(18)16-7-4-14(2,19)5-8-16/h9-10,19H,3-8,15H2,1-2H3
InChIKeyGRKCYTGTLKLNQC-UHFFFAOYSA-N
XLogP1.47
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Kikumycin B
CID 135618191
4-(2-bromoprop-2-enoylamino)-N-(2-cyanoethyl)-1-methylpyrrole-2-carboxamide
CID 44282634
4-(2-bromoprop-2-enoylamino)-1-methyl-N-phenylpyrrole-2-carboxamide
CID 44282859
4-amino-N-[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide
CID 150477
4-amino-1-methyl-1H-pyrrole-2-carboxamide hydrochloride
CID 43810482
[2-[[5-[[5-[(3-Amino-3-oxo-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]amino]-2-oxo-ethyl]-trimethyl-ammonium
CID 149718
Dihydrokikumycin B
CID 193835
(4R)-(-)-Dihydrokikumycin B
CID 361490
4-[[(2R)-5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]-N-(3-amino-3-iminopropyl)-1-methylpyrrole-2-carboxamide
CID 361491
N-[3-(4-aminobutylamino)propyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 14487178
N-[3-(4-aminobutylamino)propyl]-4-[[2-(diaminomethylideneamino)acetyl]amino]-1-methylpyrrole-2-carboxamide
CID 14487183
(4-Ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 39949839

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81096346) is (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CCCn1cc(N)cc1C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is GRKCYTGTLKLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-6-17-10-11(15)9-12(17)13(18)16-7-4-14(2,19)5-8-16/h9-10,19H,3-8,15H2,1-2H3.
What are the key properties of (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propylpyrrol-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81096346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).