1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea

C20H29N7O — CID 51127008

IUPAC1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(C(C)CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1
InChIInChI=1S/C20H29N7O/c1-14-8-10-26(11-9-14)15(2)13-21-20(28)22-17-5-3-4-16(12-17)19-23-24-25-27(19)18-6-7-18/h3-5,12,14-15,18H,6-11,13H2,1-2H3,(H2,21,22,28)
InChIKeyYFJLBGMKVMAVCL-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.92
Rot. Bonds6

About 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea

1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 51127008) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID51127008
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(C(C)CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1
InChIInChI=1S/C20H29N7O/c1-14-8-10-26(11-9-14)15(2)13-21-20(28)22-17-5-3-4-16(12-17)19-23-24-25-27(19)18-6-7-18/h3-5,12,14-15,18H,6-11,13H2,1-2H3,(H2,21,22,28)
InChIKeyYFJLBGMKVMAVCL-UHFFFAOYSA-N
XLogP2.92
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea with MolForge

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Related Compounds

1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 51945692
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea (CID 51127008) is 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN(C(C)CNC(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1.
What is the InChIKey of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is YFJLBGMKVMAVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-14-8-10-26(11-9-14)15(2)13-21-20(28)22-17-5-3-4-16(12-17)19-23-24-25-27(19)18-6-7-18/h3-5,12,14-15,18H,6-11,13H2,1-2H3,(H2,21,22,28).
What are the key properties of 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 383.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 51127008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).