1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea

C22H28ClN5O2 — CID 164950692

IUPAC1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC1CCN(c2nccc(OC3CCCCC3)c2Cl)CC1
InChIInChI=1S/C22H28ClN5O2/c23-20-19(30-18-6-2-1-3-7-18)8-12-25-21(20)28-13-9-16(10-14-28)26-22(29)27-17-5-4-11-24-15-17/h4-5,8,11-12,15-16,18H,1-3,6-7,9-10,13-14H2,(H2,26,27,29)
InChIKeySNKIAGQEHJJQRB-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.63
Rot. Bonds5

About 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea

1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea (PubChem CID 164950692) has the molecular formula C22H28ClN5O2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea
PubChem CID164950692
Molecular FormulaC22H28ClN5O2
Molecular Weight429.95 g/mol
Exact Mass429.19
IUPAC Name1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC1CCN(c2nccc(OC3CCCCC3)c2Cl)CC1
InChIInChI=1S/C22H28ClN5O2/c23-20-19(30-18-6-2-1-3-7-18)8-12-25-21(20)28-13-9-16(10-14-28)26-22(29)27-17-5-4-11-24-15-17/h4-5,8,11-12,15-16,18H,1-3,6-7,9-10,13-14H2,(H2,26,27,29)
InChIKeySNKIAGQEHJJQRB-UHFFFAOYSA-N
XLogP4.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea with MolForge

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Related Compounds

1-[1-[3-chloro-4-(3-chloro-4-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950691
1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 165040043
1-[1-[3-chloro-4-(4-methoxy-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950694
1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 134813658
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-[1-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 155523807
1-N-[1-[3-chloro-4-(4-fluoro-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-1-N'-pyridin-3-ylethene-1,1-diamine
CID 166663592
1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea
CID 146690874
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-[1-[3-methyl-4-(4-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 159407189
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea (CID 164950692) is 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)NC1CCN(c2nccc(OC3CCCCC3)c2Cl)CC1.
What is the InChIKey of 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea?
The InChIKey is SNKIAGQEHJJQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O2/c23-20-19(30-18-6-2-1-3-7-18)8-12-25-21(20)28-13-9-16(10-14-28)26-22(29)27-17-5-4-11-24-15-17/h4-5,8,11-12,15-16,18H,1-3,6-7,9-10,13-14H2,(H2,26,27,29).
What are the key properties of 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea?
1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea has a molecular weight of 429.95 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 164950692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).